Adaptable Multivariate Calibration Models for Spectral Applications

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Multivariate calibration techniques have been used in a wide variety of spectroscopic situations. In many of these situations spectral variation can be partitioned into meaningful classes. For example, suppose that multiple spectra are obtained from each of a number of different objects wherein the level of the analyte of interest varies within each object over time. In such situations the total spectral variation observed across all measurements has two distinct general sources of variation: intra-object and inter-object. One might want to develop a global multivariate calibration model that predicts the analyte of interest accurately both within and across objects, including ... continued below

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22 p.

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THOMAS,EDWARD V. December 20, 1999.

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  • Sandia National Laboratories
    Publisher Info: Sandia National Labs., Albuquerque, NM, and Livermore, CA
    Place of Publication: Albuquerque, New Mexico

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Description

Multivariate calibration techniques have been used in a wide variety of spectroscopic situations. In many of these situations spectral variation can be partitioned into meaningful classes. For example, suppose that multiple spectra are obtained from each of a number of different objects wherein the level of the analyte of interest varies within each object over time. In such situations the total spectral variation observed across all measurements has two distinct general sources of variation: intra-object and inter-object. One might want to develop a global multivariate calibration model that predicts the analyte of interest accurately both within and across objects, including new objects not involved in developing the calibration model. However, this goal might be hard to realize if the inter-object spectral variation is complex and difficult to model. If the intra-object spectral variation is consistent across objects, an effective alternative approach might be to develop a generic intra-object model that can be adapted to each object separately. This paper contains recommendations for experimental protocols and data analysis in such situations. The approach is illustrated with an example involving the noninvasive measurement of glucose using near-infrared reflectance spectroscopy. Extensions to calibration maintenance and calibration transfer are discussed.

Physical Description

22 p.

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OSTI as DE00015188

Medium: P; Size: 22 pages

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  • Journal Name: Analytical Chemistry; Other Information: Submitted to Analytical Chemistry

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  • Report No.: SAND99-3197J
  • Grant Number: AC04-94AL85000
  • Office of Scientific & Technical Information Report Number: 15188
  • Archival Resource Key: ark:/67531/metadc625530

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  • December 20, 1999

Added to The UNT Digital Library

  • June 16, 2015, 7:43 a.m.

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  • April 10, 2017, 3:13 p.m.

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THOMAS,EDWARD V. Adaptable Multivariate Calibration Models for Spectral Applications, article, December 20, 1999; Albuquerque, New Mexico. (digital.library.unt.edu/ark:/67531/metadc625530/: accessed May 25, 2018), University of North Texas Libraries, Digital Library, digital.library.unt.edu; crediting UNT Libraries Government Documents Department.